N,N-dimethyl-2-chloro-5-[3,6-dihydro-4-trifluoromethyl-2,6-dioxo-1(2H)-pyrimidinyl]-benzenesulfonamide (HCID 18993677)

基本情報

標準SMILES: CN(C)S(=O)(=O)c1cc(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)ccc1Cl
InChIKey: VEIHVMHNOMWZBA-UHFFFAOYSA-N
分子式: C13H11ClF3N3O4S
平均分子量: 397.76 g/mol

名称と識別子

優先名称: N,N-dimethyl-2-chloro-5-[3,6-dihydro-4-trifluoromethyl-2,6-dioxo-1(2H)-pyrimidinyl]-benzenesulfonamide
IUPAC: 2-chloro-5-[2,4-dioxo-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-N,N-dimethylbenzenesulfonamide

名称と別名

N,N-dimethyl-2-chloro-5-[3,6-dihydro-4-trifluoromethyl-2,6-dioxo-1(2H)-pyrimidinyl]-benzenesulfonamideSCHEMBL8936422N,N-dimethyl-2-chloro-5-[3,6- dihydro-4-trifluoromethyl-2,6-dioxo-1 (2H)-pyrimidinyl]benzenesulfonamideN,N-dimethyl-2-chloro-5-[3,6-dihydro-4-trifluoromethyl-2,6-dioxo-1(2H)-pyrimidinyl]benzenesulfonamide

データベース識別子

PubChem CID: 18993677

物性

構造計算による物性

XLogP: 1.4
極性表面積: 95.2 Å²
水素結合供与体数: 1
水素結合受容体数: 8
回転可能結合数: 3
重原子数: 25
形式電荷: 0
複雑度: 702

化合物ノート

読み込み中…